N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide

C11H6ClFN2O3S2 — CID 106272334

IUPACN-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)s1
InChIInChI=1S/C11H6ClFN2O3S2/c12-8-3-6(13)4-9(11(8)16)15-20(17,18)10-2-1-7(5-14)19-10/h1-4,15-16H
InChIKeyJXTSYKMRFNVLBD-UHFFFAOYSA-N
MW332.77 g/mol
LogP2.92
Rot. Bonds3

About N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide

N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide (PubChem CID 106272334) has the molecular formula C11H6ClFN2O3S2 and a molecular weight of 332.77 g/mol. Its IUPAC name is N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
PubChem CID106272334
Molecular FormulaC11H6ClFN2O3S2
Molecular Weight332.77 g/mol
Exact Mass331.95
IUPAC NameN-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)s1
InChIInChI=1S/C11H6ClFN2O3S2/c12-8-3-6(13)4-9(11(8)16)15-20(17,18)10-2-1-7(5-14)19-10/h1-4,15-16H
InChIKeyJXTSYKMRFNVLBD-UHFFFAOYSA-N
XLogP2.92
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269382
5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106272305
N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267209
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272309
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104
N-(2-bromo-5-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106268722
N-(2-bromo-3-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269296
5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106269400
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 106265871
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide (CID 106272334) is N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)s1.
What is the InChIKey of N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide?
The InChIKey is JXTSYKMRFNVLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O3S2/c12-8-3-6(13)4-9(11(8)16)15-20(17,18)10-2-1-7(5-14)19-10/h1-4,15-16H.
What are the key properties of N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide?
N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide has a molecular weight of 332.77 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106272334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).